1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine

C11H15BrClN — CID 115782025

IUPAC1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cccc(Br)c1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyDPEPFMXMNRLPJQ-UHFFFAOYSA-N
MW276.60 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine

1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine (PubChem CID 115782025) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
PubChem CID115782025
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cccc(Br)c1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3
InChIKeyDPEPFMXMNRLPJQ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
CID 115783703
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine (CID 115782025) is 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
The InChIKey is DPEPFMXMNRLPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(2)6-10(14)8-4-3-5-9(12)11(8)13/h3-5,7,10H,6,14H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine?
1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115782025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).